SCHEMBL4084447

SCHEMBL4084447

CC1=C(C)N(Cc2ccccc2)CN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
MC4R P32245 1/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
THRB P10828 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 1/20 0.42
BRD4 O60885 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOTUM Q6P988 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4081730 0.98 LMNA (0.47) LMNAPOLBSIGMAR1MC4RKMT2A
Iodide SCHEMBL2353150 0.82 SIGMAR1 (0.39) LMNAPOLBSIGMAR1MC4RKMT2A
Bromide SCHEMBL2347284 0.79 ALDH1A1 (0.41) LMNAPOLBKMT2AALDH1A1MEN1
SCHEMBL29439121 0.79 BRD4 (0.51) LMNAPOLBSIGMAR1KMT2AMEN1
SCHEMBL28946773 0.79 POLB (0.50) LMNAPOLBSIGMAR1MC4RKMT2A
SCHEMBL1041747 0.79 BRD4 (0.51) LMNAPOLBSIGMAR1KMT2AMEN1
Hydrochloric Acid SCHEMBL20263729 0.77 BRD4 (0.50) LMNAPOLBSIGMAR1KMT2AALDH1A1
Bromide SCHEMBL1046939 0.77 BRD4 (0.50) LMNAPOLBSIGMAR1KMT2AMEN1
Bromide SCHEMBL6320700 0.77 ALDH1A1 (0.49) POLBALDH1A1THRBHTT
SCHEMBL12220245 0.76 SIGMAR1 (0.46) LMNAPOLBSIGMAR1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113759004-A Quality evaluation method for establishing maca based on UPLC-UV-Q-TOF MS 中国中医科学院中药研究所 2021-12-07 CN claimed
CN-113759004-A Quality evaluation method for establishing maca based on UPLC-UV-Q-TOF MS 中国中医科学院中药研究所 2021-12-07 CN disclosed
EP-1536787-A4 IMIDAZOLE ALKALOIDS FROM LEPIDIUM MEYENII AND METHODS OF USAGE PURE WORLD BOTAN INC (US) 2009-02-25 EP disclosed
EP-1536787-A2 IMIDAZOLE ALKALOIDS FROM LEPIDIUM MEYENII AND METHODS OF USAGE Pure World Botanicals, Inc. (US) 2005-06-08 EP disclosed
WO-2004016216-A3 IMIDAZOLE ALKALOIDS FROM LEPIDIUM MEYENII AND METHODS OF USAGE PURE WORLD BOTAN INC (US) 2004-04-29 WO disclosed
WO-2004016216-A2 IMIDAZOLE ALKALOIDS FROM LEPIDIUM MEYENII AND METHODS OF USAGE PURE WORLD BOTANICALS, INC. (US) 2004-02-26 WO disclosed